2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid

C7H12N2O3 — CID 70148164

IUPAC2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid
SMILESNC1=NCCCC1OCC(=O)O
InChIInChI=1S/C7H12N2O3/c8-7-5(2-1-3-9-7)12-4-6(10)11/h5H,1-4H2,(H2,8,9)(H,10,11)
InChIKeyRCVNIZLKTIYIBA-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.39
Rot. Bonds3

About 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid

2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid (PubChem CID 70148164) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid
PubChem CID70148164
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid
SMILESNC1=NCCCC1OCC(=O)O
InChIInChI=1S/C7H12N2O3/c8-7-5(2-1-3-9-7)12-4-6(10)11/h5H,1-4H2,(H2,8,9)(H,10,11)
InChIKeyRCVNIZLKTIYIBA-UHFFFAOYSA-N
XLogP-0.39
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid (CID 70148164) is 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid is NC1=NCCCC1OCC(=O)O.
What is the InChIKey of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid?
The InChIKey is RCVNIZLKTIYIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-7-5(2-1-3-9-7)12-4-6(10)11/h5H,1-4H2,(H2,8,9)(H,10,11).
What are the key properties of 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid?
2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid has a molecular weight of 172.18 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,3,4,5-tetrahydropyridin-5-yl)oxy]acetic acid is sourced from PubChem (CID 70148164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).